(4-methylpiperazin-1-yl){2-[({5-(propan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}methanone
Chemical Structure Depiction of
(4-methylpiperazin-1-yl){2-[({5-(propan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}methanone
(4-methylpiperazin-1-yl){2-[({5-(propan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}methanone
Compound characteristics
| Compound ID: | V003-3279 |
| Compound Name: | (4-methylpiperazin-1-yl){2-[({5-(propan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}methanone |
| Molecular Weight: | 503.59 |
| Molecular Formula: | C25 H28 F3 N5 O S |
| Salt: | not_available |
| Smiles: | CC(C)c1nnc(n1c1cccc(c1)C(F)(F)F)SCc1ccccc1C(N1CCN(C)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4637 |
| logD: | 4.333 |
| logSw: | -4.3488 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.109 |
| InChI Key: | LJDYOXLMRBJYNX-UHFFFAOYSA-N |